==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 18-MAR-11 3R58 . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.YOSAATMADJA,R.M.TEAGUE,J.U.FLANAGAN,C.J.SQUIRE . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 1 1 2 1 1 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 6 A Q 0 0 100 0, 0.0 12,-2.0 0, 0.0 13,-0.4 0.000 360.0 360.0 360.0-176.7 22.3 -3.9 -2.3 2 7 A C E -A 12 0A 81 10,-0.3 2,-0.4 11,-0.1 8,-0.0 -0.812 360.0-129.3-135.0 163.5 21.9 -5.0 -6.0 3 8 A V E -A 11 0A 47 8,-2.6 8,-2.9 -2,-0.3 2,-0.7 -0.971 25.6-121.0-120.3 138.2 21.7 -8.2 -8.1 4 9 A K E -A 10 0A 143 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.685 29.4-143.5 -77.6 113.5 23.8 -8.8 -11.1 5 10 A L > - 0 0 5 4,-2.9 3,-2.0 -2,-0.7 189,-0.1 -0.318 26.4-105.2 -70.8 160.5 21.5 -9.4 -14.2 6 11 A N T 3 S+ 0 0 40 187,-0.4 162,-0.1 1,-0.3 -1,-0.1 0.422 120.3 54.8 -72.3 2.8 22.5 -11.9 -16.8 7 12 A D T 3 S- 0 0 43 2,-0.2 -1,-0.3 160,-0.1 3,-0.1 0.250 122.6-102.6-113.2 6.4 23.5 -9.1 -19.2 8 13 A G S < S+ 0 0 36 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.152 84.6 117.8 97.9 -18.0 25.9 -7.6 -16.7 9 14 A H - 0 0 70 135,-0.1 -4,-2.9 -5,-0.1 2,-0.4 -0.327 60.3-121.9 -74.5 169.3 23.8 -4.6 -15.5 10 15 A F E -A 4 0A 118 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.897 17.1-157.7-121.5 141.8 22.8 -4.4 -11.9 11 16 A M E -A 3 0A 0 -8,-2.9 -8,-2.6 -2,-0.4 2,-0.2 -0.960 24.0-120.6-123.5 129.8 19.3 -4.2 -10.3 12 17 A P E -A 2 0A 17 0, 0.0 -10,-0.3 0, 0.0 29,-0.0 -0.470 23.1-135.5 -62.8 130.2 18.5 -2.9 -6.9 13 18 A V S S+ 0 0 25 -12,-2.0 237,-2.9 -2,-0.2 2,-0.5 0.658 89.0 55.8 -65.2 -17.6 16.9 -5.7 -4.9 14 19 A L E S-b 250 0B 9 -13,-0.4 29,-0.7 235,-0.2 28,-0.6 -0.973 70.9-175.4-120.2 131.6 14.2 -3.4 -3.6 15 20 A G E -bc 251 43B 0 235,-2.7 237,-2.0 -2,-0.5 2,-0.5 -0.832 25.1-121.9-125.4 161.7 11.9 -1.4 -5.8 16 21 A F E -bc 252 44B 1 27,-2.6 29,-2.8 -2,-0.3 2,-0.4 -0.849 22.1-143.0-102.2 125.5 9.3 1.3 -5.4 17 22 A G E -bc 253 45B 9 235,-2.3 237,-0.6 -2,-0.5 29,-0.1 -0.766 15.2-174.1 -89.4 132.3 5.9 0.5 -6.9 18 23 A T + 0 0 0 27,-1.3 2,-0.1 -2,-0.4 -1,-0.1 0.413 37.5 124.6-110.8 1.4 4.3 3.6 -8.4 19 24 A Y + 0 0 45 26,-0.1 -2,-0.1 27,-0.1 32,-0.1 -0.419 28.5 165.8 -64.6 133.7 0.9 2.3 -9.4 20 25 A A - 0 0 2 30,-0.3 -2,-0.0 -2,-0.1 9,-0.0 -0.980 39.2-103.5-141.0 147.3 -2.1 4.2 -8.0 21 26 A P > - 0 0 14 0, 0.0 3,-2.5 0, 0.0 29,-0.0 -0.219 38.8-102.9 -67.4 160.6 -5.7 4.1 -9.1 22 27 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 28,-0.0 0.647 117.3 68.7 -64.3 -13.1 -7.1 6.9 -11.2 23 28 A E T 3 S+ 0 0 146 2,-0.1 3,-0.0 3,-0.0 0, 0.0 0.712 83.0 83.4 -75.9 -17.2 -8.9 8.4 -8.2 24 29 A V S < S- 0 0 43 -3,-2.5 5,-0.1 1,-0.1 -4,-0.1 -0.780 96.9-111.3 -83.0 123.3 -5.5 9.3 -6.7 25 30 A P > - 0 0 90 0, 0.0 3,-2.6 0, 0.0 4,-0.5 -0.251 21.4-120.9 -57.0 141.3 -4.5 12.7 -8.3 26 31 A R T 3> S+ 0 0 57 1,-0.3 4,-0.7 2,-0.2 3,-0.3 0.666 107.0 69.3 -62.6 -19.6 -1.6 12.3 -10.7 27 32 A S H 3> S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.699 84.5 70.5 -74.2 -15.7 0.5 14.8 -8.6 28 33 A K H <> S+ 0 0 21 -3,-2.6 4,-3.3 1,-0.2 5,-0.4 0.950 91.4 59.1 -66.3 -38.1 0.8 12.2 -5.8 29 34 A A H > S+ 0 0 2 -4,-0.5 4,-2.0 -3,-0.3 -1,-0.2 0.871 105.5 48.9 -55.7 -39.9 3.1 10.0 -8.0 30 35 A L H X S+ 0 0 39 -4,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.949 115.8 43.7 -62.1 -49.5 5.6 12.9 -8.3 31 36 A E H X S+ 0 0 117 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.932 115.5 44.7 -62.8 -54.6 5.6 13.5 -4.5 32 37 A V H X S+ 0 0 2 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.886 111.2 53.8 -66.3 -30.3 5.8 9.9 -3.4 33 38 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.4 -1,-0.2 0.882 107.2 51.3 -73.6 -35.2 8.5 9.0 -5.9 34 39 A K H X S+ 0 0 74 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.930 111.9 48.7 -60.0 -43.6 10.6 11.9 -4.6 35 40 A L H X S+ 0 0 30 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.893 108.1 54.1 -62.1 -38.1 10.0 10.5 -1.0 36 41 A A H X>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 4,-1.0 0.938 110.3 45.5 -63.3 -45.5 11.0 7.0 -2.1 37 42 A I H ><5S+ 0 0 1 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.925 113.0 49.6 -68.5 -41.6 14.3 8.2 -3.5 38 43 A E H 3<5S+ 0 0 52 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.898 108.7 54.8 -58.0 -44.8 15.0 10.3 -0.4 39 44 A A H 3<5S- 0 0 18 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.697 130.5 -95.1 -61.0 -24.3 14.1 7.3 1.8 40 45 A G T <<5S+ 0 0 37 -4,-1.0 -3,-0.2 -3,-0.6 2,-0.2 0.391 74.5 143.5 121.3 -4.7 16.7 5.2 -0.1 41 46 A F < + 0 0 2 -5,-2.5 -1,-0.3 -6,-0.2 -26,-0.1 -0.492 17.2 174.2 -62.6 135.9 14.7 3.4 -2.9 42 47 A R + 0 0 80 -28,-0.6 33,-3.4 -2,-0.2 2,-0.5 0.428 60.0 71.1-119.5 -4.6 16.9 3.2 -6.0 43 48 A H E -cd 15 75B 1 -29,-0.7 -27,-2.6 31,-0.2 2,-0.4 -0.965 62.7-171.0-119.0 124.4 14.7 1.0 -8.2 44 49 A I E -cd 16 76B 0 31,-2.8 33,-2.5 -2,-0.5 2,-0.5 -0.980 7.4-154.9-121.3 125.2 11.5 2.7 -9.5 45 50 A D E +cd 17 77B 4 -29,-2.8 -27,-1.3 -2,-0.4 2,-0.2 -0.873 28.7 143.6-110.8 122.4 8.8 0.6 -11.3 46 51 A S - 0 0 0 31,-1.7 2,-0.3 -2,-0.5 3,-0.1 -0.686 22.4-164.6-138.9-168.8 6.4 2.2 -13.7 47 52 A A > - 0 0 0 31,-0.2 3,-1.0 -2,-0.2 5,-0.5 -0.929 39.8-103.6-176.7 151.4 4.6 1.4 -17.0 48 53 A H G > S+ 0 0 57 31,-1.5 3,-1.3 -2,-0.3 5,-0.2 0.911 119.3 60.4 -48.8 -44.9 2.8 3.0 -19.9 49 54 A L G 3 S+ 0 0 80 30,-0.3 -1,-0.2 1,-0.2 31,-0.0 0.760 90.8 65.3 -56.2 -32.8 -0.4 1.6 -18.3 50 55 A Y G < S- 0 0 28 -3,-1.0 -30,-0.3 1,-0.1 -1,-0.2 0.596 90.2-141.2 -74.2 -13.1 -0.0 3.5 -15.0 51 56 A N S < S+ 0 0 118 -3,-1.3 -3,-0.1 -4,-0.4 -2,-0.1 0.883 76.6 99.1 54.9 42.7 -0.5 6.9 -16.7 52 57 A N > + 0 0 1 -5,-0.5 4,-2.7 -4,-0.1 5,-0.2 0.208 35.9 110.2-139.2 11.9 2.2 8.4 -14.3 53 58 A E H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.847 78.8 52.4 -69.5 -36.2 5.4 8.4 -16.3 54 59 A E H > S+ 0 0 132 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.956 115.0 43.3 -56.6 -52.0 5.7 12.2 -16.6 55 60 A Q H > S+ 0 0 44 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.919 117.5 44.8 -60.3 -46.7 5.3 12.5 -12.9 56 61 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.913 114.5 48.1 -67.7 -44.9 7.7 9.6 -12.1 57 62 A G H X S+ 0 0 0 -4,-2.8 4,-3.5 1,-0.2 5,-0.2 0.926 111.6 51.3 -60.2 -43.9 10.3 10.8 -14.6 58 63 A L H X S+ 0 0 72 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.865 108.3 52.6 -60.0 -35.6 10.0 14.3 -13.2 59 64 A A H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.953 112.2 43.9 -69.6 -44.3 10.6 12.9 -9.7 60 65 A I H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 3,-0.3 0.944 116.4 47.3 -60.5 -45.5 13.7 11.1 -10.8 61 66 A R H X S+ 0 0 86 -4,-3.5 4,-2.7 1,-0.2 -1,-0.2 0.837 108.6 55.5 -67.7 -28.6 14.8 14.2 -12.8 62 67 A S H X S+ 0 0 38 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.842 108.5 47.8 -70.9 -34.3 14.1 16.4 -9.8 63 68 A K H <>S+ 0 0 32 -4,-1.6 6,-1.7 -3,-0.3 5,-0.8 0.667 111.6 49.5 -86.5 -19.5 16.3 14.4 -7.5 64 69 A I H ><5S+ 0 0 53 -4,-1.4 3,-1.7 4,-0.2 -2,-0.2 0.930 111.1 50.1 -74.8 -49.0 19.1 14.4 -10.0 65 70 A A H 3<5S+ 0 0 87 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.879 108.8 50.6 -57.9 -43.9 18.8 18.2 -10.4 66 71 A D T 3<5S- 0 0 92 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.1 0.521 117.0-112.4 -73.8 -6.5 18.9 18.9 -6.7 67 72 A G T < 5S+ 0 0 62 -3,-1.7 -3,-0.1 2,-0.2 -2,-0.1 0.416 83.1 117.2 95.0 -0.8 22.0 16.7 -6.2 68 73 A S S > - 0 0 129 -2,-0.3 3,-4.6 1,-0.1 4,-0.6 -0.918 33.1-113.9-110.1 144.6 22.9 10.5 -10.3 71 76 A R G >4 S+ 0 0 33 -2,-0.4 3,-2.6 1,-0.3 -1,-0.1 0.868 119.7 54.6 -37.1 -51.8 20.9 9.1 -13.2 72 77 A E G 34 S+ 0 0 138 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.576 99.0 63.2 -70.5 -4.9 23.2 6.0 -13.2 73 78 A D G <4 S+ 0 0 75 -3,-4.6 2,-0.4 2,-0.0 -1,-0.3 0.568 95.3 76.3 -81.4 -16.7 22.3 5.6 -9.4 74 79 A I << - 0 0 2 -3,-2.6 2,-0.7 -4,-0.6 -31,-0.2 -0.787 64.8-157.3-101.8 136.3 18.6 5.1 -10.4 75 80 A F E -d 43 0B 7 -33,-3.4 -31,-2.8 -2,-0.4 2,-0.5 -0.941 19.8-173.1-112.5 108.3 17.2 1.9 -11.9 76 81 A Y E -d 44 0B 1 -2,-0.7 31,-1.9 -33,-0.2 32,-1.5 -0.912 3.5-165.0-112.7 128.5 14.0 2.9 -13.7 77 82 A T E +de 45 108B 0 -33,-2.5 -31,-1.7 -2,-0.5 2,-0.3 -0.889 10.0 173.4-109.9 136.9 11.6 0.3 -15.3 78 83 A S E - e 0 109B 0 30,-2.6 32,-1.3 -2,-0.4 2,-0.4 -0.832 18.5-135.2-129.6 176.5 8.9 0.8 -17.7 79 84 A K E - e 0 110B 0 -2,-0.3 -31,-1.5 30,-0.2 2,-0.7 -0.995 12.3-122.1-141.8 141.0 6.7 -1.6 -19.6 80 85 A L E - e 0 111B 0 30,-3.4 32,-1.7 -2,-0.4 33,-0.4 -0.593 36.9-128.8 -75.5 114.6 5.3 -2.3 -23.0 81 86 A W > - 0 0 48 -2,-0.7 3,-2.4 31,-0.1 36,-0.1 -0.250 18.8-113.1 -67.7 157.6 1.5 -2.4 -22.9 82 87 A S G > S+ 0 0 1 1,-0.3 35,-3.2 2,-0.2 3,-0.5 0.533 112.9 63.7 -75.0 -9.2 -0.4 -5.4 -24.4 83 88 A T G 3 S+ 0 0 29 33,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.533 101.3 55.0 -82.5 -9.2 -2.0 -3.4 -27.3 84 89 A F G < + 0 0 58 -3,-2.4 -1,-0.2 1,-0.1 -2,-0.2 -0.003 67.5 112.4-115.2 31.2 1.6 -2.8 -28.6 85 90 A H < + 0 0 2 -3,-0.5 -1,-0.1 32,-0.3 5,-0.1 0.753 44.9 106.4 -71.1 -27.2 2.9 -6.3 -28.9 86 91 A R S >> S- 0 0 103 -3,-0.2 3,-2.2 1,-0.2 4,-0.8 -0.384 83.2-122.6 -58.6 130.5 3.0 -6.1 -32.7 87 92 A P H >> S+ 0 0 47 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.812 107.8 55.8 -55.3 -36.3 6.7 -5.9 -33.4 88 93 A E H 34 S+ 0 0 123 1,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.719 106.5 52.7 -70.4 -17.9 6.6 -2.5 -35.3 89 94 A L H <> S+ 0 0 51 -3,-2.2 4,-1.8 2,-0.1 -1,-0.2 0.677 90.4 79.7 -84.5 -18.4 4.8 -0.9 -32.3 90 95 A V H S+ 0 0 69 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.866 110.1 53.1 -61.9 -30.3 7.7 3.6 -30.8 93 98 A A H X S+ 0 0 15 -4,-1.8 4,-2.0 -3,-0.3 -2,-0.2 0.926 112.1 44.6 -67.3 -43.8 5.9 2.6 -27.5 94 99 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.921 111.6 51.2 -65.3 -45.0 9.2 2.7 -25.7 95 100 A E H X S+ 0 0 80 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.901 109.1 53.1 -63.3 -38.3 10.3 6.0 -27.3 96 101 A N H X S+ 0 0 44 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.934 108.6 49.5 -57.7 -46.4 6.8 7.4 -26.2 97 102 A S H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.950 112.9 47.4 -60.1 -46.0 7.5 6.2 -22.6 98 103 A L H X>S+ 0 0 10 -4,-2.8 4,-1.9 2,-0.2 5,-1.6 0.902 110.8 49.7 -61.3 -44.9 11.0 7.9 -22.6 99 104 A K H <5S+ 0 0 62 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.943 112.1 50.9 -63.5 -39.2 9.6 11.2 -24.1 100 105 A K H <5S+ 0 0 94 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.915 117.8 36.2 -64.3 -42.4 6.9 11.1 -21.3 101 106 A A H <5S- 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.643 105.3-132.1 -82.4 -13.4 9.5 10.6 -18.5 102 107 A Q T <5 + 0 0 128 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.873 60.0 133.6 60.8 46.3 12.0 12.8 -20.3 103 108 A L < - 0 0 18 -5,-1.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.813 62.0-131.4-121.0 159.0 14.8 10.4 -19.9 104 109 A D S S- 0 0 149 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.788 84.7 -5.3 -79.9 -29.6 17.4 9.1 -22.3 105 110 A Y - 0 0 37 -7,-0.1 2,-0.4 38,-0.0 38,-0.2 -0.975 62.4-123.4-153.6 158.5 17.0 5.3 -21.6 106 111 A V E - f 0 143B 0 36,-2.4 38,-2.3 -2,-0.3 39,-0.2 -0.830 16.3-141.0 -97.0 149.5 15.1 3.0 -19.3 107 112 A D E S+ 0 0 19 -31,-1.9 38,-1.9 -2,-0.4 2,-0.3 0.805 90.7 21.5 -73.1 -28.7 17.3 0.6 -17.3 108 113 A L E -ef 77 145B 1 -32,-1.5 -30,-2.6 36,-0.2 2,-0.4 -0.983 61.3-175.1-146.4 130.0 14.6 -2.0 -17.9 109 114 A Y E -ef 78 146B 1 36,-1.9 38,-2.2 -2,-0.3 2,-0.4 -0.985 17.2-173.7-126.1 132.3 11.8 -2.5 -20.4 110 115 A L E -ef 79 147B 0 -32,-1.3 -30,-3.4 -2,-0.4 2,-0.7 -0.939 35.7-114.8-126.7 147.3 9.4 -5.4 -20.0 111 116 A I E -ef 80 148B 0 36,-1.9 38,-1.6 -2,-0.4 -30,-0.1 -0.751 34.9-149.0 -70.0 114.1 6.6 -7.0 -21.9 112 117 A H - 0 0 17 -32,-1.7 -1,-0.2 -2,-0.7 -31,-0.1 0.817 68.0 -5.5 -63.9 -34.6 3.9 -6.1 -19.5 113 118 A S - 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0 0 35 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.915 29.4-108.5-133.2 160.6 5.8 -5.1 10.8 235 252 A P H > S+ 0 0 32 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.879 119.7 55.9 -56.2 -35.7 3.9 -7.7 8.7 236 253 A A H > S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.944 107.4 48.2 -57.2 -46.6 4.9 -5.7 5.6 237 254 A L H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.880 109.7 52.3 -67.9 -36.6 8.6 -5.9 6.5 238 255 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.936 110.6 47.7 -59.0 -48.5 8.3 -9.6 7.1 239 256 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.845 115.5 44.8 -66.4 -35.3 6.7 -10.2 3.7 240 257 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 3,-0.4 0.940 113.2 49.4 -72.9 -48.5 9.4 -8.1 1.9 241 258 A R H X S+ 0 0 40 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.879 103.5 62.7 -59.5 -38.4 12.3 -9.7 3.8 242 259 A Y H X S+ 0 0 0 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.926 104.6 47.2 -48.4 -46.5 10.9 -13.1 3.0 243 260 A Q H ><>S+ 0 0 0 -4,-1.1 5,-2.6 -3,-0.4 3,-0.8 0.918 107.4 53.9 -67.7 -45.2 11.4 -12.4 -0.7 244 261 A L H ><5S+ 0 0 27 -4,-1.6 3,-1.6 1,-0.3 -1,-0.2 0.934 109.0 49.7 -58.5 -42.5 15.0 -11.0 -0.4 245 262 A Q H 3<5S+ 0 0 68 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.729 106.5 56.0 -68.9 -20.5 16.1 -14.2 1.4 246 263 A R T <<5S- 0 0 20 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.409 120.6-110.9 -79.6 -4.8 14.4 -16.3 -1.4 247 264 A G T < 5S+ 0 0 52 -3,-1.6 2,-0.4 -4,-0.4 -51,-0.4 0.694 75.2 139.4 76.1 18.0 16.7 -14.4 -4.0 248 265 A V < - 0 0 2 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.3 -0.795 55.8-129.4 -93.1 135.3 13.6 -12.6 -5.3 249 266 A V E - i 0 197B 2 -53,-2.1 -51,-3.2 -2,-0.4 2,-0.4 -0.686 34.1-148.9 -78.9 137.8 13.8 -8.8 -6.2 250 267 A V E -bi 14 198B 0 -237,-2.9 -235,-2.7 -2,-0.3 2,-0.3 -0.943 14.6-156.5-125.9 131.0 10.9 -7.2 -4.4 251 268 A L E -b 15 0B 10 -53,-2.2 -50,-0.5 -2,-0.4 2,-0.4 -0.779 8.6-168.1 -96.0 149.2 8.7 -4.2 -5.2 252 269 A A E -b 16 0B 1 -237,-2.0 -235,-2.3 -2,-0.3 2,-0.5 -0.965 4.7-159.1-139.7 118.6 6.8 -2.3 -2.5 253 270 A K E +b 17 0B 75 -2,-0.4 2,-0.3 -237,-0.3 -235,-0.1 -0.876 24.8 151.1 -93.2 129.7 4.1 0.3 -3.3 254 271 A S - 0 0 9 -237,-0.6 -218,-0.1 -2,-0.5 -2,-0.1 -0.944 29.0-171.8-146.9 146.1 3.2 2.8 -0.7 255 272 A Y + 0 0 45 -2,-0.3 2,-0.5 -222,-0.0 -223,-0.0 0.089 64.1 99.2-116.7 19.8 1.9 6.4 -1.1 256 273 A N S > S- 0 0 53 1,-0.1 4,-2.7 -224,-0.0 5,-0.2 -0.935 70.5-140.2-112.9 125.7 2.3 7.1 2.6 257 274 A E H > S+ 0 0 101 -2,-0.5 4,-1.4 1,-0.2 -1,-0.1 0.821 101.7 46.1 -49.7 -41.7 5.3 9.0 3.8 258 275 A Q H > S+ 0 0 65 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.948 114.6 46.3 -73.0 -44.7 5.8 6.8 7.0 259 276 A R H > S+ 0 0 139 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.849 107.1 57.7 -66.2 -37.2 5.4 3.5 5.2 260 277 A I H X S+ 0 0 1 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.935 112.6 41.5 -56.1 -48.4 7.7 4.4 2.4 261 278 A R H >< S+ 0 0 114 -4,-1.4 3,-0.8 -5,-0.2 4,-0.4 0.898 111.3 56.0 -67.5 -41.5 10.4 5.0 5.0 262 279 A Q H >< S+ 0 0 45 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.888 98.9 63.3 -57.7 -34.9 9.5 1.9 7.0 263 280 A N H >< S+ 0 0 4 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.794 91.3 61.4 -72.1 -23.0 9.9 -0.2 3.9 264 281 A V G X< S+ 0 0 32 -3,-0.8 3,-1.5 -4,-0.7 -1,-0.3 0.644 84.7 80.5 -71.6 -10.8 13.7 0.4 3.5 265 282 A Q G X + 0 0 59 -3,-1.9 3,-2.5 -4,-0.4 4,-0.3 0.529 62.8 95.3 -73.7 -3.6 14.2 -1.1 6.9 266 283 A V G X S+ 0 0 0 -3,-1.4 3,-0.7 1,-0.3 -1,-0.3 0.797 81.1 55.9 -54.6 -26.9 13.9 -4.5 5.1 267 284 A F G < S+ 0 0 95 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.1 0.436 91.6 73.7 -83.2 3.0 17.8 -4.3 5.1 268 285 A E G < S+ 0 0 121 -3,-2.5 2,-0.3 -4,-0.0 -1,-0.2 0.487 100.5 25.7 -99.5 -1.2 18.0 -3.9 8.8 269 286 A F < - 0 0 23 -3,-0.7 2,-0.3 -4,-0.3 -38,-0.0 -0.956 61.4-135.5-154.3 172.9 17.1 -7.5 9.9 270 287 A Q - 0 0 141 -2,-0.3 2,-0.3 -39,-0.0 -28,-0.1 -0.969 12.4-136.2-132.8 146.3 17.1 -11.2 9.0 271 288 A L - 0 0 6 -2,-0.3 2,-0.1 -30,-0.1 -44,-0.0 -0.663 26.5-126.1 -91.4 152.5 14.6 -14.0 9.3 272 289 A T > - 0 0 61 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.413 30.0 -98.0 -88.8 174.6 15.8 -17.5 10.4 273 290 A A H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.882 126.3 49.6 -57.2 -41.2 15.3 -20.9 8.7 274 291 A E H > S+ 0 0 142 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.851 109.8 52.1 -71.9 -32.0 12.3 -21.7 10.8 275 292 A D H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.951 110.9 47.6 -59.8 -50.2 10.8 -18.2 10.1 276 293 A M H X S+ 0 0 25 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.879 112.0 49.6 -59.6 -42.1 11.3 -18.9 6.3 277 294 A K H X S+ 0 0 163 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.916 109.0 51.9 -62.2 -47.0 9.7 -22.3 6.6 278 295 A A H < S+ 0 0 44 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.903 113.7 44.7 -55.4 -43.2 6.7 -20.9 8.6 279 296 A I H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 4,-0.3 0.895 108.5 55.7 -71.4 -41.3 6.2 -18.3 5.8 280 297 A D H >< S+ 0 0 72 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.735 99.6 64.8 -53.3 -27.0 6.7 -21.0 3.0 281 298 A G T 3< S+ 0 0 62 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.536 87.6 68.7 -82.0 -5.8 3.8 -22.9 4.8 282 299 A L T < + 0 0 11 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.2 0.618 68.0 125.3 -78.0 -23.0 1.4 -20.1 3.9 283 300 A D < + 0 0 71 -3,-0.8 -104,-0.2 -4,-0.3 -103,-0.2 -0.133 23.8 160.8 -47.6 128.4 1.4 -20.8 0.2 284 301 A R - 0 0 120 -105,-1.9 -104,-0.2 2,-0.1 -1,-0.1 0.095 56.7-108.7-143.8 30.1 -2.1 -21.4 -1.0 285 302 A N + 0 0 105 1,-0.2 2,-0.7 0, 0.0 -105,-0.2 0.853 68.4 150.6 47.0 38.7 -2.1 -20.9 -4.8 286 303 A L - 0 0 44 -107,-2.2 2,-0.5 -71,-0.0 -1,-0.2 -0.863 26.3-174.5-106.5 107.2 -4.0 -17.6 -4.3 287 304 A H - 0 0 37 -2,-0.7 -107,-0.0 1,-0.1 -111,-0.0 -0.864 17.5-150.4 -96.2 129.5 -3.5 -14.9 -6.9 288 305 A Y S S+ 0 0 6 -2,-0.5 2,-0.9 -88,-0.1 -76,-0.4 0.856 83.2 75.8 -66.7 -35.9 -5.2 -11.7 -6.0 289 306 A F + 0 0 38 -78,-0.1 2,-0.3 -3,-0.1 -78,-0.2 -0.692 59.0 152.5 -79.6 106.1 -5.8 -10.6 -9.7 290 307 A N + 0 0 99 -80,-2.7 2,-0.4 -2,-0.9 -78,-0.1 -0.741 16.5 145.7-145.7 80.9 -8.6 -12.9 -10.5 291 308 A S >> - 0 0 19 -2,-0.3 4,-2.9 1,-0.1 3,-1.4 -0.957 58.4-130.8-132.7 137.2 -10.7 -11.4 -13.1 292 309 A D H 3> S+ 0 0 140 -2,-0.4 4,-1.7 1,-0.2 5,-0.1 0.926 107.0 70.5 -46.5 -44.4 -12.8 -12.4 -16.1 293 310 A S H 34 S+ 0 0 67 1,-0.2 -1,-0.2 2,-0.2 -83,-0.0 0.784 116.3 20.2 -50.9 -27.4 -10.9 -9.8 -18.1 294 311 A F H X4 S+ 0 0 49 -3,-1.4 3,-2.1 2,-0.1 -1,-0.2 0.797 115.1 67.0-101.6 -42.2 -7.7 -12.0 -17.9 295 312 A A H 3< S+ 0 0 43 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.683 99.0 51.4 -61.5 -23.6 -9.1 -15.5 -17.2 296 313 A S T 3< S+ 0 0 77 -4,-1.7 -1,-0.3 -5,-0.2 -3,-0.1 0.324 84.3 113.1 -98.1 8.3 -10.8 -15.9 -20.5 297 314 A H S X S- 0 0 7 -3,-2.1 3,-2.4 -5,-0.1 -3,-0.0 -0.670 70.3-133.5 -85.7 132.4 -7.7 -14.9 -22.5 298 315 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -183,-0.0 0.726 108.9 44.1 -56.3 -25.4 -6.1 -17.8 -24.6 299 316 A N T 3 S+ 0 0 59 -183,-0.1 -4,-0.1 -5,-0.1 -144,-0.0 0.125 77.5 150.2-109.2 18.1 -2.7 -16.8 -23.2 300 317 A Y X - 0 0 25 -3,-2.4 3,-1.3 -6,-0.2 4,-0.2 -0.311 43.7-141.5 -43.5 117.7 -3.7 -16.4 -19.6 301 318 A P G > S+ 0 0 7 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.772 93.2 62.6 -58.3 -31.8 -0.6 -17.2 -17.5 302 319 A Y G > S+ 0 0 31 1,-0.2 3,-0.6 2,-0.1 -2,-0.1 0.259 76.8 89.2 -92.0 16.8 -2.5 -19.0 -14.8 303 320 A S G < S+ 0 0 73 -3,-1.3 -1,-0.2 1,-0.2 -3,-0.0 0.719 80.7 60.2 -70.6 -25.6 -3.8 -21.8 -17.1 304 321 A D G < 0 0 119 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.1 0.127 360.0 360.0 -99.9 24.1 -0.8 -24.0 -16.5 305 322 A E < 0 0 107 -3,-0.6 -3,-0.0 -20,-0.0 0, 0.0 -0.472 360.0 360.0 -97.5 360.0 -1.3 -24.3 -12.7